N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C14H18N4O2 — CID 111696594

IUPACN-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCC2)c2cnn(C)c2n1
InChIInChI=1S/C14H18N4O2/c1-9-6-10(11-7-16-18(2)12(11)17-9)13(19)15-8-14(20)4-3-5-14/h6-7,20H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyZERSPRGPFSOYLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.92
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111696594) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111696594
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCC2)c2cnn(C)c2n1
InChIInChI=1S/C14H18N4O2/c1-9-6-10(11-7-16-18(2)12(11)17-9)13(19)15-8-14(20)4-3-5-14/h6-7,20H,3-5,8H2,1-2H3,(H,15,19)
InChIKeyZERSPRGPFSOYLW-UHFFFAOYSA-N
XLogP0.92
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 111696594) is N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(O)CCC2)c2cnn(C)c2n1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZERSPRGPFSOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-10(11-7-16-18(2)12(11)17-9)13(19)15-8-14(20)4-3-5-14/h6-7,20H,3-5,8H2,1-2H3,(H,15,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111696594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).